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Tortuosamine

CAT: 0013-GTR19242440-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242440-02Size:10 mg
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Description
Tortuosamine is a bioactive alkaloid from Sceletium tortuosum, studied for its neuroprotective, anti-HIV, and cognition-enhancing potential. Research applications include in vitro assays for neuroprotection and antiviral activity, supporting investigations in neuroscience and virology.
CAS Number
35722-04-4
Smiles
C (CNC) [C@@]1 (CC=2C (CC1) =NC=CC2) C3=CC (OC) =C (OC) C=C3
Molecular Formula
C20H26N2O2
Molecular Weight
326.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(-)-Tortuosamine

(-)-tortuosamine is 5,6,7,8-Tetrahydroquinoline in whith the hydrogens at position 6 are substituted by a 3-azabutyl group and a 3,4-dimethoxyphenyl group. (S configuration). It is found in the herb kanna (Sceletium tortuosum). It has a role as a plant metabolite.

CAS Number35722-04-4
PubChem CID443745
IUPAC Name2-[(6S)-6-(3,4-dimethoxyphenyl)-7,8-dihydro-5H-quinolin-6-yl]-N-methylethanamine
Molecular FormulaC20H26N2O2
Molecular Weight326.4
XLogP3.2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity392
SMILES
CNCC[C@@]1(CCC2=C(C1)C=CC=N2)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H26N2O2/c1-21-12-10-20(9-8-17-15(14-20)5-4-11-22-17)16-6-7-18(23-2)19(13-16)24-3/h4-7,11,13,21H,8-10,12,14H2,1-3H3/t20-/m1/s1
InChIKey
QFRVOGLOHJOHAY-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of (-)-Tortuosamine
CAS: 35722-04-4
CID: 443745
Formula: C20H26N2O2
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass326.199428076
Monoisotopic Mass326.199428076
Topological Polar Surface Area43.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202114-01Tortuosamine

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